Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007008
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
HPS![]() | PHENYL DIHYDROGEN PHOSPHATE | A | 1O4O | 0.73 | ![]() |
DHC![]() | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.72 | ![]() |
DHC![]() | CAFFEIC ACID | A | 1KOU | 0.72 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.73 | ![]() |
CAQ![]() | CATECHOL | B | 2BUY | 0.9 | ![]() |
CAQ![]() | CATECHOL | A | 1KND | 0.9 | ![]() |
CAQ![]() | CATECHOL | B | 2BUQ | 0.9 | ![]() |
CAQ![]() | CATECHOL | A,B | 1DLT | 0.9 | ![]() |
CAQ![]() | CATECHOL | A | 1XEP | 0.9 | ![]() |
CAQ![]() | CATECHOL | A | 2PUM | 0.9 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.79 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.79 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.79 | ![]() |
2CH![]() | 2-CHLOROPHENOL | A | 1WBO | 0.72 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.73 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.73 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.73 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.73 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.73 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.73 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.73 | ![]() |
IOL![]() | 4-IODOPHENOL | A,B | 1EWA | 0.8 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.73 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.73 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.73 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.73 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.73 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.73 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.73 | ![]() |
FPN![]() | 4-FLUOROPHENOL | A,B | 1XVD | 0.8 | ![]() |
HTS![]() | 2-MERCAPTOPHENOL | A | 2OSM | 0.75 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.7 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.7 | ![]() |
261![]() | 2-ethoxyphenol | X | 2RB1 | 0.74 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.78 | ![]() |
3FA![]() | 3-FLUOROBENZENE-1,2-DIOL | A | 2AS4 | 0.87 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.7 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.72 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.72 | ![]() |
SN1![]() | 2,4-DIHYDROXY-TRANS CINNAMIC ACID | 1 | 1K2I | 0.73 | ![]() |
TTO![]() | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL- ARSONIUM | A | 1HYZ | 0.78 | ![]() |
PYG![]() | BENZENE-1,2,3-TRIOL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI4 | 0.98 | ![]() |
PYG![]() | BENZENE-1,2,3-TRIOL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLE | 0.98 | ![]() |
BML![]() | 4-BROMOPHENOL | A,B,E | 3DHH | 0.74 | ![]() |
BML![]() | 4-BROMOPHENOL | A,B | 1XU3 | 0.74 | ![]() |
BML![]() | 4-BROMOPHENOL | A,B | 1T0S | 0.74 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.72 | ![]() |
GVF![]() | BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)] | A | 2UVM | 0.8 | ![]() |
S24![]() | S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate | A | 2OSF | 0.76 | ![]() |
4HM![]() | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.84 | ![]() |
HFL![]() | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.71 | ![]() |
2BR![]() | 2-BROMOPHENOL | A,B,C,D | 2A9W | 0.74 | ![]() |
TH0![]() | 4-MERCAPTOBENZENE-1,3-DIOL | A | 2OSF | 0.82 | ![]() |
3CH![]() | 3-CHLOROPHENOL | A | 1LI3 | 0.74 | ![]() |
BTT![]() | BENZENE-1,2,4,5-TETROL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI6 | 0.96 | ![]() |
BTT![]() | BENZENE-1,2,4,5-TETROL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLF | 0.96 | ![]() |
FFP![]() | 2,6-DIFLUOROPHENOL | A | 2INX | 0.78 | ![]() |
STL![]() | RESVERATROL | A,B | 3CKL | 0.77 | ![]() |
STL![]() | RESVERATROL | A,B,C,D | 1U0W | 0.77 | ![]() |
STL![]() | RESVERATROL | A | 1CGZ | 0.77 | ![]() |
STL![]() | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.77 | ![]() |
STL![]() | RESVERATROL | A | 1Z1F | 0.77 | ![]() |
STL![]() | RESVERATROL | A | 1DVS | 0.77 | ![]() |
STL![]() | RESVERATROL | A,B | 1SG0 | 0.77 | ![]() |
IPH![]() | PHENOL | A,B | 2OLD | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2PZV | 0.83 | ![]() |
IPH![]() | PHENOL | A | 1LI2 | 0.83 | ![]() |
IPH![]() | PHENOL | A | 2J9N | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2OMB | 0.83 | ![]() |
IPH![]() | PHENOL | A | 1JHX | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2VE7 | 0.83 | ![]() |
IPH![]() | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1FOH | 0.83 | ![]() |
IPH![]() | PHENOL | A | 1V03 | 0.83 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 5AIY | 0.83 | ![]() |
IPH![]() | PHENOL | B,D,F,H,J,L | 1AIY | 0.83 | ![]() |
IPH![]() | PHENOL | A,B | 1XU5 | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.83 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 4AIY | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.83 | ![]() |
IPH![]() | PHENOL | A | 2AS3 | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1ZEG | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1PN0 | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1XW7 | 0.83 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1Q4V | 0.83 | ![]() |
IPH![]() | PHENOL | B | 1AI7 | 0.83 | ![]() |
IPH![]() | PHENOL | A | 1FJW | 0.83 | ![]() |
IPH![]() | PHENOL | B,C,D | 1RWE | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.83 | ![]() |
IPH![]() | PHENOL | B,C,D | 3GKY | 0.83 | ![]() |
IPH![]() | PHENOL | A | 1JHY | 0.83 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 3AIY | 0.83 | ![]() |
IPH![]() | PHENOL | A,B | 2OMN | 0.83 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 2AIY | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,D | 1MPJ | 0.83 | ![]() |
IPH![]() | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.83 | ![]() |
IPH![]() | PHENOL | B,C,D | 1LPH | 0.83 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.74 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.74 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.74 | ![]() |
RCO![]() | RESORCINOL | A,B,C,E,F,G, H,I,J,K | 2OLY | 0.91 | ![]() |
RCO![]() | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y | 2OM1 | 0.91 | ![]() |
RCO![]() | RESORCINOL | A,B,C,E,G,H, I,K | 2OLZ | 0.91 | ![]() |
RCO![]() | RESORCINOL | A,B,C,D,E,F | 2OMH | 0.91 | ![]() |
RCO![]() | RESORCINOL | A,B,C,E,G,H, I,J,K | 2OMI | 0.91 | ![]() |
RCO![]() | RESORCINOL | A,B,C,D,E,G, I,J,K | 1EVR | 0.91 | ![]() |
RCO![]() | RESORCINOL | A,C,E,G,I,K,M | 1QIZ | 0.91 | ![]() |
RCO![]() | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y | 2OM0 | 0.91 | ![]() |
PIT![]() | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.82 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.72 | ![]() |
FP2![]() | 2-fluorophenol | A | 3CPO | 0.8 | ![]() |
226![]() | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.76 | ![]() |